SCHEMBL7976379

SCHEMBL7976379

O=C(CCCNc1cc(C(F)(F)F)ccc1Cl)Oc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CYP3A4 P08684 6/20 0.38
CYP2C19 P33261 6/20 0.38
ALDH1A1 P00352 6/20 0.38
CYP1A2 P05177 5/20 0.38
CYP2D6 P10635 4/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7979399 0.91 MAPT (0.34) HDAC1HDAC8MEN1KMT2ACYP3A4
SCHEMBL7979241 0.91 MAPT (0.37) HDAC1HDAC8MEN1KMT2ACYP3A4
SCHEMBL7977672 0.88 TDP1 (0.38) HDAC1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL7965920 0.87 MAPT (0.50) MEN1KMT2ACYP3A4CYP2C19ALDH1A1
SCHEMBL7982287 0.86 HDAC1 (0.36) HDAC1HDAC8MEN1KMT2ACYP3A4
SCHEMBL7976381 0.85 HDAC1 (0.42) HDAC1MAPT
SCHEMBL7979400 0.82 FLT1 (0.37) HDAC1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL7979244 0.82 GAA (0.38) HDAC1MAPT
SCHEMBL7977810 0.81 NPSR1 (0.34) MEN1KMT2AALDH1A1CYP1A2L3MBTL1
SCHEMBL7965923 0.79 MAPT (0.46) MEN1KMT2AALDH1A1RAB9AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed